CID 11041377

2-(4-chlorophenyl)prop-2-enoic acid

Structural Information

Molecular Formula
C9H7ClO2
SMILES
C=C(C1=CC=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C9H7ClO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-5H,1H2,(H,11,12)
InChIKey
IAXZBSWYBYZRQZ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

182.01346 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.020736 133.2
[M+Na]+ 205.002678 142.0
[M-H]- 181.006184 135.8
[M+NH4]+ 200.047283 153.3
[M+K]+ 220.976618 137.9
[M+H-H2O]+ 165.010720 129.2
[M+HCOO]- 227.011661 150.7
[M+CH3COO]- 241.027311 177.6
[M+Na-2H]- 202.988126 137.5
[M]+ 182.01291142 133.9
[M]- 182.01400858 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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